[2-[[2-(butanoylamino)-6-oxidanylidene-3H-purin-9-yl]methoxy]-3-oxidanyl-propyl] butanoate

Systemtic Name: [2-[[2-(butanoylamino)-6-oxidanylidene-3H-purin-9-yl]methoxy]-3-oxidanyl-propyl] butanoate Openeye Name: [2-[[2-(butanoylamino)-6-oxo-3H-purin-9-yl]methoxy]-3-hydroxy-propyl] butanoate CAS Name: butanoic acid [3-hydroxy-2-[[6-oxo-2-(1-oxobutylamino)-3H-purin-9-yl]methoxy]propyl] ester IUPAC Name: [2-[[2-(butanoylamino)-6-oxo-3H-purin-9-yl]methoxy]-3-hydroxypropyl] butanoate Traditional Name: butyric acid [2-[(2-butyramido-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] ester Formula: C17H25N5O6 MolecularWeight: 395.4103

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COC(CO)COC(=O)CCC

Isomeric SMILES

CCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COC(CO)COC(=O)CCC

InChI

InChI=1S/C17H25N5O6/c1-3-5-12(24)19-17-20-15-14(16(26)21-17)18-9-22(15)10-28-11(7-23)8-27-13(25)6-4-2/h9,11,23H,3-8,10H2,1-2H3,(H2,19,20,21,24,26)